SCHEMBL23403447

SCHEMBL23403447

CCCCc1c(O)nn(C)c1CCC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIRT1 Q96EB6 1/20 0.33
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
FFAR1 O14842 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23402969 0.94 HPGD (0.37) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23403595 0.93 HTT (0.36) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23402695 0.90 KDM4E (0.32) MAPK1NPSR1MAPTKMT2AKDM4E
SCHEMBL23402303 0.89 HPGD (0.36) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23401713 0.85 MAOB (0.34) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23403635 0.85 KDM4E (0.33) HTTKDM4ELMNAALDH1A1
SCHEMBL23402480 0.83 FFAR1 (0.36) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23402903 0.82 HPGD (0.34) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23402866 0.81 KDM4E (0.31) MAPK1NPSR1MAPTKMT2AKDM4E
SCHEMBL23400598 0.81 HPGD (0.38) HPGDNPC1MAPK1HTTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed